4-({5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)-1-propylpiperidine

• ChemBase ID: 693013
• Molecular Formular: C17H26N4OS
• Molecular Mass: 334.47954
• Monoisotopic Mass: 334.18273247
• SMILES: n1c(noc1CCc1c(ncs1)C)CC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)Cc1noc(n1)CCc1scnc1C
• InChI: InChI=1S/C17H26N4OS/c1-3-8-21-9-6-14(7-10-21)11-16-19-17(22-20-16)5-4-15-13(2)18-12-23-15/h12,14H,3-11H2,1-2H3
• InChIKey: BWCYARAMJJYBEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)-1-propylpiperidine
• IUPAC Traditional name: 4-({5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)-1-propylpiperidine
• Synonyms: 4-({5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)-1-propylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3349841
• LogD (pH = 7.4): 1.1054829
• Log P: 3.12732
• Molar Refractivity: 94.3741 cm^3
• Polarizability: 35.39762 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.58
• LOG S: -2.83
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 7